6-bromanyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-phenyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-phenyl-quinazolin-4-one Openeye Name: 6-bromo-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3-phenyl-quinazolin-4-one CAS Name: 6-bromo-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-phenyl-4-quinazolinone IUPAC Name: 6-bromo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-phenylquinazolin-4-one Traditional Name: 6-bromo-2-[(2-keto-2-piperidino-ethyl)thio]-3-phenyl-quinazolin-4-one Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C21H20BrN3O2S/c22-15-9-10-18-17(13-15)20(27)25(16-7-3-1-4-8-16)21(23-18)28-14-19(26)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12,14H2